[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2E,4E)-hexa-2,4-dienoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

C/C=C/C=C/C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C17H15N3O3/c1-2-3-4-9-16(21)23-12-15-19-14-8-6-5-7-13(14)17(22)20(15)11-10-18/h2-9H,11-12H2,1H3/b3-2+,9-4+